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# ChangeLog for tests/integration/testsuite-integration.at
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# Generated by Trac 1.4.4
# Mar 28, 2025, 1:48:41 PM

Wed, 20 Jun 2018 08:21:13 GMT Frederik Heber <frederik.heber@…> [31baf0]
	* tests/integration/testsuite-integration.at (modified)

	TESTFIX: Readded missing Structure Optimization integration tests.
 ...


Wed, 04 Apr 2018 16:59:48 GMT Frederik Heber <frederik.heber@…> [322d58]
	* doc/userguide/userguide.xml (modified)
	* src/Actions/MoleculeAction/ForceAnnealingAction.cpp (modified)
	* src/Actions/MoleculeAction/ForceAnnealingAction.def (modified)
	* src/Dynamics/ForceAnnealing.hpp (modified)
	* tests/GuiChecks/Molecules/ForceAnnealing/testsuite-molecules-force-annealing.at (modified)
	* tests/integration/testsuite-integration.at (modified)
	* tests/regression/Molecules/ForceAnnealing/testsuite-molecules-force-annealing.at (modified)

	ForceAnnealing now uses step width according to Barzilai-Borwein ...


Wed, 04 Apr 2018 16:59:36 GMT Frederik Heber <frederik.heber@…> [53a85a]
	* tests/integration/Makefile.am (modified)
	* tests/integration/PotentialFitting/pre/water.pdb (added)
	* tests/integration/PotentialFitting/testsuite-integration-potentialfitting-water.at (added)
	* tests/integration/PotentialFitting/testsuite-integration-potentialfitting.at (added)
	* tests/integration/testsuite-integration.at (modified)

	Added integration test on Potential Fitting for water.

	- we fit ...


Wed, 04 Apr 2018 16:59:36 GMT Frederik Heber <frederik.heber@…> [167523]
	* tests/integration/Makefile.am (modified)
	* tests/integration/StructureOptimization/pre/ethane.pdb (added)
	* tests/integration/StructureOptimization/pre/methane.pdb (added)
	* tests/integration/StructureOptimization/pre/water.pdb (added)
	* tests/integration/StructureOptimization/testsuite-integration-structureoptimization-ethane.at (added)
	* tests/integration/StructureOptimization/testsuite-integration-structureoptimization-methane.at (added)
	* tests/integration/StructureOptimization/testsuite-integration-structureoptimization-water.at (added)
	* tests/integration/StructureOptimization/testsuite-integration-structureoptimization.at (added)
	* tests/integration/testsuite-integration.at (modified)

	Added integration tests on Structure Optimization.

	- we use the ...


Wed, 04 Apr 2018 16:59:24 GMT Frederik Heber <frederik.heber@…> [0aae02]
	* tests/integration/Makefile.am (modified)
	* tests/integration/MolecularDynamics/post/water.ekin (added)
	* tests/integration/MolecularDynamics/post/water_initial_steps.data (added)
	* tests/integration/MolecularDynamics/pre/water.pdb (added)
	* tests/integration/MolecularDynamics/testsuite-integration-moleculardynamics-water.at (added)
	* tests/integration/MolecularDynamics/testsuite-integration-moleculardynamics.at (added)
	* tests/integration/testsuite-integration.at (modified)

	Added integration test molecular dynamics of a water molecule.

	- we ...


Wed, 04 Apr 2018 16:59:24 GMT Frederik Heber <frederik.heber@…> [6491d3]
	* tests/integration/FragmentJobs/pre/ethane.pdb (moved)
	* tests/integration/FragmentJobs/testsuite-integration-fragmentjobs-mpqc-jobs.at (moved)
	* tests/integration/FragmentJobs/testsuite-integration-fragmentjobs-vmg-jobs.at (moved)
	* tests/integration/FragmentJobs/testsuite-integration-fragmentjobs.at (added)
	* tests/integration/Makefile.am (modified)
	* tests/integration/testsuite-integration.at (modified)

	Moved fragment jobs integration test into subfolder.


Thu, 02 Mar 2017 15:07:23 GMT Frederik Heber <heber@…> [39f22f]
	* tests/integration/Makefile.am (modified)
	* tests/integration/testsuite-integration-vmg-jobs.at (added)
	* tests/integration/testsuite-integration.at (modified)

	Added long-range fragmentation integration test.


Thu, 02 Mar 2017 12:26:24 GMT Frederik Heber <heber@…> [83fa5c]
	* configure.ac (modified)
	* tests/Makefile.am (modified)
	* tests/integration/Makefile.am (added)
	* tests/integration/pre/ethane.pdb (added)
	* tests/integration/testsuite-integration-mpqc-jobs.at (added)
	* tests/integration/testsuite-integration.at (added)
	* tests/integration/testsuite.at (added)

	Added integration tests folder testing on full integration with ...